BDBM50243818 (S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)-3-[4-(2-isopropyl-imidazo[4,5-b]pyridin-3-yl)-phenyl]-propionic acid::CHEMBL486444

SMILES CC(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1

InChI Key InChIKey=BTGVFQXCQFVKOT-FQEVSTJZSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50243818   

TargetIntegrin alpha-4(Homo sapiens (Human))
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM50243818((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Affinity DataIC50:  9nMAssay Description:Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM50243818((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM50243818((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM50243818((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Affinity DataIC50:  7.90E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM50243818((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed